3-(2-aminophenyl)-2-[2-(dimethylamino)propyl]-3H-isoindol-1-one dihydrate dihydrochloride

Systemtic Name: 3-(2-aminophenyl)-2-[2-(dimethylamino)propyl]-3H-isoindol-1-one dihydrate dihydrochloride Openeye Name: 3-(2-aminophenyl)-2-[2-(dimethylamino)propyl]isoindolin-1-one dihydrate dihydrochloride CAS Name: 3-(2-aminophenyl)-2-[2-(dimethylamino)propyl]-3H-isoindol-1-one dihydrate dihydrochloride IUPAC Name: 3-(2-aminophenyl)-2-[2-(dimethylamino)propyl]-3H-isoindol-1-one dihydrate dihydrochloride Traditional Name: 3-(2-aminophenyl)-2-[2-(dimethylamino)propyl]isoindolin-1-one dihydrate dihydrochloride Formula: C19H29Cl2N3O3 MolecularWeight: 418.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N)N(C)C.O.O.Cl.Cl

Isomeric SMILES

CC(CN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N)N(C)C.O.O.Cl.Cl

InChI

InChI=1S/C19H23N3O.2ClH.2H2O/c1-13(21(2)3)12-22-18(16-10-6-7-11-17(16)20)14-8-4-5-9-15(14)19(22)23;;;;/h4-11,13,18H,12,20H2,1-3H3;2*1H;2*1H2